SCHEMBL26499822

SCHEMBL26499822

COc1cc(N)cnc1N1CC2(C1)CC(F)(F)C2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.35
ALK Q9UM73 1/20 0.34
ENPP1 P22413 1/20 0.33
BMPR2 Q13873 1/20 0.32
TTK P33981 1/20 0.32
GCK P35557 1/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GAK O14976 2/20 0.31
PDE2A O00408 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A3 P11169 1/20 0.31
OPRK1 P41145 1/20 0.31
ACACB O00763 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
FGFR4 P22455 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23623106 0.89 ENPP1 (0.40) MAP3K12ALKENPP1BMPR2TTK
SCHEMBL31378886 0.82 GAK (0.44) MAP3K12TTKBACE1BACE2GAK
SCHEMBL26499751 0.82 TRPV1 (0.36)
SCHEMBL26499755 0.81
SCHEMBL23625655 0.81 WHR1 (0.44) MAP3K12ALKENPP1GCKGAK
SCHEMBL26499757 0.79 SMN1; SMN2 (0.36)
SCHEMBL13027673 0.75 NOS1 (0.43) ENPP1GCKGAKOPRK1
SCHEMBL20918773 0.73 ACHE (0.50) ALKBACE1
SCHEMBL15652664 0.71 PDE10A (0.51) GAK
SCHEMBL22803862 0.70 CHRM4 (0.32) MAP3K12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAP3K12 789/4885ALK 2552/4885ENPP1 316/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.